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	hartrees
Energy at 0K	-693.105959
Energy at 298.15K	-693.116355
HF Energy	-693.105959
Nuclear repulsion energy	290.945571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3009	19.37
2	A'	3145	2979	12.63
3	A'	3091	2927	12.59
4	A'	3049	2888	45.58
5	A'	3038	2877	27.01
6	A'	1565	1482	1.37
7	A'	1544	1463	5.56
8	A'	1528	1447	3.75
9	A'	1518	1437	4.46
10	A'	1476	1398	12.43
11	A'	1432	1357	26.06
12	A'	1405	1330	28.18
13	A'	1301	1232	22.59
14	A'	1233	1168	230.67
15	A'	1183	1120	21.38
16	A'	1104	1046	5.14
17	A'	1084	1027	11.49
18	A'	928	879	10.31
19	A'	802	759	46.32
20	A'	490	464	0.84
21	A'	390	370	2.83
22	A'	271	257	3.17
23	A'	124	118	1.42
24	A"	3211	3041	5.41
25	A"	3174	3006	21.43
26	A"	3088	2924	33.10
27	A"	3071	2908	60.58
28	A"	1511	1431	5.62
29	A"	1317	1247	3.26
30	A"	1311	1241	0.36
31	A"	1237	1172	5.66
32	A"	1195	1132	4.51
33	A"	1079	1022	2.98
34	A"	826	782	0.61
35	A"	805	762	0.11
36	A"	248	235	1.57
37	A"	173	164	7.86
38	A"	78	74	1.94
39	A"	64	61	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.376	-0.238	0.000
Cl2	-2.642	1.008	0.000
C3	0.000	0.411	0.000
C4	3.217	-1.381	0.000
C5	2.294	-0.171	0.000
O6	0.951	-0.636	0.000
H7	4.260	-1.056	0.000
H8	-1.499	-0.861	0.886
H9	-1.499	-0.861	-0.886
H10	0.111	1.046	-0.891
H11	0.111	1.046	0.891
H12	3.039	-1.990	-0.889
H13	3.039	-1.990	0.889
H14	2.472	0.447	0.892
H15	2.472	0.447	-0.892

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7767	1.5212	4.7329	3.6706	2.3605	5.6953	1.0907	1.0907	2.1569	2.1569	4.8320	4.8320	4.0091	4.0091
Cl2	1.7767		2.7090	6.3275	5.0753	3.9513	7.2045	2.3640	2.3640	2.8936	2.8936	6.4847	6.4847	5.2219	5.2219
C3	1.5212	2.7090		3.6821	2.3667	1.4138	4.5055	2.1567	2.1567	1.0997	1.0997	3.9731	3.9731	2.6284	2.6284
C4	4.7329	6.3275	3.6821		1.5215	2.3855	1.0930	4.8266	4.8266	4.0413	4.0413	1.0922	1.0922	2.1656	2.1656
C5	3.6706	5.0753	2.3667	1.5215		1.4214	2.1559	3.9561	3.9561	2.6538	2.6538	2.1568	2.1568	1.0994	1.0994
O6	2.3605	3.9513	1.4138	2.3855	1.4214		3.3361	2.6151	2.6151	2.0803	2.0803	2.6425	2.6425	2.0693	2.0693
H7	5.6953	7.2045	4.5055	1.0930	2.1559	3.3361		5.8305	5.8305	4.7360	4.7360	1.7765	1.7765	2.4997	2.4997
H8	1.0907	2.3640	2.1567	4.8266	3.9561	2.6151	5.8305		1.7730	3.0640	2.4959	5.0017	4.6760	4.1814	4.5437
H9	1.0907	2.3640	2.1567	4.8266	3.9561	2.6151	5.8305	1.7730		2.4959	3.0640	4.6760	5.0017	4.5437	4.1814
H10	2.1569	2.8936	1.0997	4.0413	2.6538	2.0803	4.7360	3.0640	2.4959		1.7815	4.2177	4.5778	3.0188	2.4365
H11	2.1569	2.8936	1.0997	4.0413	2.6538	2.0803	4.7360	2.4959	3.0640	1.7815		4.5778	4.2177	2.4365	3.0188
H12	4.8320	6.4847	3.9731	1.0922	2.1568	2.6425	1.7765	5.0017	4.6760	4.2177	4.5778		1.7781	3.0706	2.5016
H13	4.8320	6.4847	3.9731	1.0922	2.1568	2.6425	1.7765	4.6760	5.0017	4.5778	4.2177	1.7781		2.5016	3.0706
H14	4.0091	5.2219	2.6284	2.1656	1.0994	2.0693	2.4997	4.1814	4.5437	3.0188	2.4365	3.0706	2.5016		1.7830
H15	4.0091	5.2219	2.6284	2.1656	1.0994	2.0693	2.4997	4.5437	4.1814	2.4365	3.0188	2.5016	3.0706	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.018	C1	C3	H10	109.713
C1	C3	H11	109.713	Cl2	C1	C3	110.217
Cl2	C1	H8	108.690	Cl2	C1	H9	108.690
C3	C1	H8	110.233	C3	C1	H9	110.233
C3	O6	C5	113.180	C4	C5	O6	108.263
C4	C5	H14	110.406	C4	C5	H15	110.406
C5	C4	H7	110.014	C5	C4	H12	110.134
C5	C4	H13	110.134	O6	C3	H10	111.100
O6	C3	H11	111.100	O6	C5	H14	109.694
O6	C5	H15	109.694	H7	C4	H12	108.771
H7	C4	H13	108.771	H8	C1	H9	108.733
H10	C3	H11	108.190	H12	C4	H13	108.982
H14	C5	H15	108.372

All results from a given calculation for C₄H₉ClO (1-Chloro-2-ethoxyethane)

using model chemistry: M06-2X/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.419
2	Cl	-0.076
3	C	-0.019
4	C	-0.494
5	C	-0.035
6	O	-0.505
7	H	0.163
8	H	0.221
9	H	0.221
10	H	0.155
11	H	0.155
12	H	0.176
13	H	0.176
14	H	0.140
15	H	0.140

	x	y	z	Total
	2.124	-0.295	0.000	2.144
CHELPG
AIM
ESP

	x	y	z
x	10.426	-1.433	0.000
y	-1.433	7.895	0.000
z	0.000	0.000	6.913

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H9ClO (1-Chloro-2-ethoxyethane)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₄H₉ClO (1-Chloro-2-ethoxyethane)